#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr0 s SER 2 N 0.00 5.70 -0.20 1.61 0.15 -1.26 -4.96 113.70 114.74 2cr0 s SER 2 Ca 0.00 -1.60 -0.01 0.00 0.70 0.00 0.00 55.95 55.03 2cr0 s SER 2 Cb 0.00 -2.01 0.08 0.00 -1.71 0.00 0.00 66.02 62.38 2cr0 s SER 2 CO 0.00 -0.59 2.25 -0.24 1.20 0.00 0.00 173.24 175.86 2cr0 n SER 3 N 4.94 5.99 0.00 5.45 2.88 -1.26 -4.20 113.62 127.42 2cr0 n SER 3 Ca -0.10 -2.81 0.00 0.00 -1.33 0.00 0.00 58.87 54.63 2cr0 n SER 3 Cb 0.42 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 2cr0 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr0 n GLY 4 N 0.99 -1.87 3.56 0.46 0.00 -1.26 -5.12 105.19 101.95 2cr0 n GLY 4 Ca 0.24 0.85 -0.43 0.00 0.00 0.00 0.00 46.02 46.68 2cr0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr0 s SER 5 N 0.00 6.49 -0.11 1.61 0.01 -1.26 -5.01 113.70 115.44 2cr0 s SER 5 Ca 0.00 0.12 -0.16 0.00 1.31 0.00 0.00 55.95 57.21 2cr0 s SER 5 Cb 0.00 -2.43 0.04 0.00 0.21 0.00 0.00 66.02 63.84 2cr0 s SER 5 CO 0.00 -0.97 0.42 -0.94 0.41 0.00 0.00 173.24 172.15 2cr0 s SER 6 N 2.16 -0.39 0.00 2.44 1.04 -1.26 -5.11 113.70 112.58 2cr0 s SER 6 Ca 0.35 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.39 2cr0 s SER 6 Cb -0.11 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2cr0 s SER 6 CO 0.24 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.79 2cr0 n GLY 7 N 2.18 1.64 3.17 7.32 0.00 -1.26 -5.06 105.19 113.19 2cr0 n GLY 7 Ca -0.16 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 2cr0 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cr0 s LYS 8 N 0.00 0.91 0.28 1.61 -2.85 -1.26 -4.99 119.74 113.45 2cr0 s LYS 8 Ca 0.00 -0.89 -0.29 0.00 -1.00 0.00 0.00 55.97 53.78 2cr0 s LYS 8 Cb 0.00 -0.95 -0.10 0.00 -2.06 0.00 0.00 37.83 34.72 2cr0 s LYS 8 CO 0.00 0.22 1.25 -1.25 0.10 0.00 0.00 175.35 175.67 2cr0 s PRO 9 N -1.49 4.45 0.51 1.78 0.04 -1.26 -1.71 135.00 137.32 2cr0 s PRO 9 Ca 0.01 2.06 0.06 0.00 0.04 0.00 0.00 61.00 63.16 2cr0 s PRO 9 Cb -0.09 -3.14 0.06 0.00 0.04 0.00 0.00 34.50 31.37 2cr0 s PRO 9 CO 0.02 -0.09 0.50 0.27 0.04 0.00 0.00 177.00 177.74 2cr0 n ASN 10 N 1.35 2.39 -0.25 6.66 0.23 -1.19 -4.89 115.26 119.55 2cr0 n ASN 10 Ca 0.01 -2.63 0.05 0.00 -0.53 0.00 0.00 54.58 51.48 2cr0 n ASN 10 Cb 0.43 -0.16 0.18 0.00 -2.08 0.00 0.00 39.78 38.15 2cr0 n ASN 10 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2cr0 h LEU 11 N 0.00 0.28 -3.17 -4.53 4.07 -1.96 -1.21 115.31 108.80 2cr0 h LEU 11 Ca -0.30 0.10 -0.03 0.00 0.08 0.00 0.00 57.88 57.74 2cr0 h LEU 11 Cb 1.16 0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.97 2cr0 h LEU 11 CO 0.45 0.12 -0.06 0.61 -1.08 0.00 0.00 178.44 178.48 2cr0 n GLY 12 N -1.32 2.54 2.63 0.83 0.00 -1.26 -4.74 105.19 103.87 2cr0 n GLY 12 Ca 0.14 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 2cr0 n GLY 12 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2cr0 n ASN 13 N 1.66 -0.98 0.00 1.61 3.02 -0.46 -1.81 115.26 118.31 2cr0 n ASN 13 Ca 0.06 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2cr0 n ASN 13 Cb 0.55 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 2cr0 n ASN 13 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cr0 n GLY 14 N -0.56 2.59 3.13 7.41 0.00 -1.25 -4.45 105.19 112.06 2cr0 n GLY 14 Ca 0.03 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 2cr0 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cr0 s ALA 15 N -2.79 -0.85 -0.54 4.61 0.00 -1.04 -3.20 121.76 117.95 2cr0 s ALA 15 Ca 0.00 1.21 -0.28 0.00 0.00 0.00 0.00 51.96 52.89 2cr0 s ALA 15 Cb 0.00 -1.16 0.03 0.00 0.00 0.00 0.00 23.12 21.99 2cr0 s ALA 15 CO 0.00 -0.69 1.13 0.34 0.00 0.00 0.00 175.76 176.54 2cr0 s ASP 16 N 2.50 6.49 0.11 0.00 -1.08 -0.69 -3.76 116.67 120.24 2cr0 s ASP 16 Ca -0.00 0.16 0.05 0.00 -0.52 0.00 0.00 52.55 52.24 2cr0 s ASP 16 Cb -0.12 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.77 2cr0 s ASP 16 CO -0.11 -1.37 0.02 -0.76 0.52 0.00 0.00 175.17 173.48 2cr0 s LEU 17 N 4.64 3.52 0.56 -1.34 1.43 -1.05 -4.19 118.68 122.24 2cr0 s LEU 17 Ca 0.43 -0.19 0.34 0.00 -1.03 0.00 0.00 54.13 53.68 2cr0 s LEU 17 Cb -0.08 -2.22 1.42 0.00 0.03 0.00 0.00 46.19 45.35 2cr0 s LEU 17 CO 0.27 0.15 2.00 1.55 0.23 0.00 0.00 176.35 180.55 2cr0 h PRO 18 N 3.18 0.00 0.02 1.29 0.13 -1.97 -2.98 132.00 131.68 2cr0 h PRO 18 Ca -0.47 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.35 2cr0 h PRO 18 Cb 1.17 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2cr0 h PRO 18 CO 0.60 0.00 -1.81 0.09 -0.23 0.00 0.00 178.00 176.66 2cr0 n ASN 19 N -3.09 1.08 -3.59 1.44 5.03 -1.26 -5.02 115.26 109.85 2cr0 n ASN 19 Ca 0.00 0.35 -0.05 0.00 0.87 0.00 0.00 54.58 55.76 2cr0 n ASN 19 Cb 0.29 -0.17 -0.02 0.00 -1.02 0.00 0.00 39.78 38.86 2cr0 n ASN 19 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2cr0 s TYR 20 N -2.58 -0.16 -0.11 3.10 -0.85 -1.13 -4.28 117.35 111.34 2cr0 s TYR 20 Ca -0.09 0.13 0.01 0.00 -0.52 0.00 0.00 57.07 56.61 2cr0 s TYR 20 Cb 0.08 0.51 -0.02 0.00 0.38 0.00 0.00 41.96 42.91 2cr0 s TYR 20 CO 0.81 -0.22 -0.14 -0.98 -1.52 0.00 0.00 175.55 173.50 2cr0 s ARG 21 N -2.21 3.14 -0.01 -3.49 1.70 -0.39 -2.52 118.95 115.17 2cr0 s ARG 21 Ca 0.08 -0.70 0.00 0.00 -0.47 0.00 0.00 55.73 54.64 2cr0 s ARG 21 Cb -0.01 -2.55 0.01 0.00 -0.57 0.00 0.00 34.95 31.83 2cr0 s ARG 21 CO -0.05 0.32 0.00 1.67 -1.08 0.00 0.00 175.30 176.16 2cr0 s TRP 22 N 0.07 0.09 0.18 5.89 1.48 -1.25 -0.04 118.94 125.36 2cr0 s TRP 22 Ca -0.06 0.02 0.11 0.00 -1.06 0.00 0.00 56.10 55.11 2cr0 s TRP 22 Cb -0.15 -0.12 -0.04 0.00 -1.16 0.00 0.00 33.47 32.00 2cr0 s TRP 22 CO 0.05 -0.03 -0.24 0.95 -4.06 0.00 0.00 176.95 173.61 2cr0 s THR 23 N 0.31 2.28 -0.04 0.66 -4.23 0.17 -2.49 115.64 112.31 2cr0 s THR 23 Ca -0.03 -1.98 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 2cr0 s THR 23 Cb -0.04 -2.07 0.01 0.00 1.34 0.00 0.00 72.50 71.73 2cr0 s THR 23 CO -0.01 -0.11 -0.09 0.00 -0.54 0.00 0.00 174.62 173.88 2cr0 s GLN 24 N -2.59 1.05 0.30 3.99 -2.07 -0.75 0.28 119.66 119.87 2cr0 s GLN 24 Ca 0.19 -0.28 0.03 0.00 -1.82 0.00 0.00 55.36 53.48 2cr0 s GLN 24 Cb -0.08 -0.96 -0.01 0.00 -1.09 0.00 0.00 33.01 30.86 2cr0 s GLN 24 CO 0.09 0.06 0.12 0.25 -1.32 0.00 0.00 175.29 174.49 2cr0 n THR 25 N 3.52 0.00 1.12 3.63 -2.24 -0.67 -4.37 114.28 115.27 2cr0 n THR 25 Ca -0.20 -1.79 0.01 0.00 -2.27 0.00 0.00 64.05 59.79 2cr0 n THR 25 Cb 0.53 0.66 0.04 0.00 -2.10 0.00 0.00 70.33 69.46 2cr0 n THR 25 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2cr0 n LEU 26 N 0.00 1.13 0.00 3.22 4.77 -1.26 -3.79 117.00 121.07 2cr0 n LEU 26 Ca -0.04 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 2cr0 n LEU 26 Cb 0.46 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2cr0 n LEU 26 CO 0.24 0.23 -0.33 0.00 -1.33 0.00 0.00 177.39 176.20 2cr0 n ALA 27 N -0.05 2.82 -3.82 -1.18 0.00 -1.26 -4.26 120.51 112.76 2cr0 n ALA 27 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.42 2cr0 n ALA 27 Cb 0.25 0.33 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2cr0 n ALA 27 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2cr0 s GLU 28 N -1.94 1.56 -0.18 0.00 1.03 -1.25 -3.87 118.70 114.05 2cr0 s GLU 28 Ca 0.00 -0.94 -0.02 0.00 0.03 0.00 0.00 54.97 54.04 2cr0 s GLU 28 Cb 0.00 0.48 -0.01 0.00 -0.80 0.00 0.00 34.13 33.80 2cr0 s GLU 28 CO 0.00 -0.73 -0.10 -1.17 -1.33 0.00 0.00 175.26 171.94 2cr0 s LEU 29 N -3.10 2.71 -0.11 1.83 0.20 0.58 -1.67 118.68 119.11 2cr0 s LEU 29 Ca 0.15 -0.41 -0.10 0.00 0.69 0.00 0.00 54.13 54.46 2cr0 s LEU 29 Cb -0.03 -1.65 -0.05 0.00 -0.43 0.00 0.00 46.19 44.03 2cr0 s LEU 29 CO 0.06 0.04 0.21 -1.81 -0.29 0.00 0.00 176.35 174.56 2cr0 s ASP 30 N 1.08 6.46 -0.03 3.68 1.11 0.14 -1.64 116.67 127.48 2cr0 s ASP 30 Ca 0.00 0.54 0.01 0.00 0.18 0.00 0.00 52.55 53.29 2cr0 s ASP 30 Cb -0.15 -2.12 0.01 0.00 1.07 0.00 0.00 42.92 41.73 2cr0 s ASP 30 CO -0.02 0.33 -0.05 -0.22 1.18 0.00 0.00 175.17 176.38 2cr0 s LEU 31 N -0.68 1.62 -0.12 1.23 2.96 -1.10 0.45 118.68 123.03 2cr0 s LEU 31 Ca 0.16 -0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 2cr0 s LEU 31 Cb -0.13 -0.39 0.04 0.00 0.50 0.00 0.00 46.19 46.21 2cr0 s LEU 31 CO 0.05 0.00 0.00 0.00 -1.32 0.00 0.00 176.35 175.09 2cr0 s ALA 32 N 0.44 0.92 -0.47 5.97 0.00 0.94 -1.19 121.76 128.38 2cr0 s ALA 32 Ca -0.06 -0.41 -0.06 0.00 0.00 0.00 0.00 51.96 51.43 2cr0 s ALA 32 Cb -0.09 -0.94 0.12 0.00 0.00 0.00 0.00 23.12 22.21 2cr0 s ALA 32 CO -0.00 -0.72 0.30 0.08 0.00 0.00 0.00 175.76 175.42 2cr0 s VAL 33 N 1.88 3.75 -0.02 0.00 1.01 -1.13 -1.26 120.40 124.63 2cr0 s VAL 33 Ca 0.03 -2.05 -0.30 0.00 0.00 0.00 0.00 61.98 59.65 2cr0 s VAL 33 Cb -0.14 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 2cr0 s VAL 33 CO -0.07 -0.75 1.47 -2.16 0.00 0.00 0.00 175.10 173.59 2cr0 s PRO 34 N 1.08 4.24 -0.09 2.72 0.04 -1.26 -2.24 135.00 139.50 2cr0 s PRO 34 Ca 0.08 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.12 2cr0 s PRO 34 Cb -0.24 -3.69 -0.03 0.00 0.04 0.00 0.00 34.50 30.58 2cr0 s PRO 34 CO -0.03 -0.67 0.00 -0.06 0.04 0.00 0.00 177.00 176.29 2cr0 s PHE 35 N 2.91 3.16 0.00 0.56 0.08 0.10 -4.95 117.98 119.85 2cr0 s PHE 35 Ca 0.66 0.20 -0.06 0.00 0.12 0.00 0.00 56.93 57.85 2cr0 s PHE 35 Cb -0.32 -1.79 -0.25 0.00 -0.57 0.00 0.00 43.02 40.09 2cr0 s PHE 35 CO 0.26 0.47 3.52 2.89 -0.10 0.00 0.00 175.22 182.27 2cr0 n ARG 36 N 2.14 1.93 -3.29 0.44 1.85 -1.26 -4.74 116.66 113.73 2cr0 n ARG 36 Ca -0.19 -0.94 -0.30 0.00 -1.00 0.00 0.00 57.85 55.42 2cr0 n ARG 36 Cb 0.54 -1.94 -0.04 0.00 -1.05 0.00 0.00 32.46 29.96 2cr0 n ARG 36 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2cr0 s VAL 37 N 0.96 4.95 -0.20 8.89 -7.23 -1.26 -5.00 120.40 121.51 2cr0 s VAL 37 Ca 0.63 0.31 0.16 0.00 -1.81 0.00 0.00 61.98 61.27 2cr0 s VAL 37 Cb 0.30 -3.69 0.37 0.00 0.56 0.00 0.00 36.38 33.93 2cr0 s VAL 37 CO 0.00 -0.25 1.26 -1.20 -0.31 0.00 0.00 175.10 174.60 2cr0 n SER 38 N -0.67 3.03 -3.02 4.85 7.64 -1.26 -4.93 113.62 119.25 2cr0 n SER 38 Ca -0.00 -2.90 -0.16 0.00 1.01 0.00 0.00 58.87 56.82 2cr0 n SER 38 Cb 0.53 -0.43 -0.05 0.00 -1.01 0.00 0.00 64.21 63.25 2cr0 n SER 38 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2cr0 n PHE 39 N -0.83 -1.16 -2.59 1.43 1.16 -1.26 -5.12 117.46 109.08 2cr0 n PHE 39 Ca 0.17 -2.45 -0.43 0.00 -1.87 0.00 0.00 57.45 52.87 2cr0 n PHE 39 Cb 0.71 0.43 -0.02 0.00 -1.61 0.00 0.00 39.48 38.99 2cr0 n PHE 39 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 2cr0 s ARG 40 N -2.99 3.99 0.28 3.97 3.52 -1.26 -4.55 118.95 121.91 2cr0 s ARG 40 Ca 0.32 1.02 -0.29 0.00 -0.13 0.00 0.00 55.73 56.65 2cr0 s ARG 40 Cb 0.00 -3.79 -0.10 0.00 -1.56 0.00 0.00 34.95 29.50 2cr0 s ARG 40 CO 0.23 -1.02 1.32 -0.51 -0.81 0.00 0.00 175.30 174.51 2cr0 s LEU 41 N 3.91 4.43 -0.06 -0.88 1.43 -0.93 -4.99 118.68 121.58 2cr0 s LEU 41 Ca 0.48 2.58 0.02 0.00 -1.03 0.00 0.00 54.13 56.18 2cr0 s LEU 41 Cb -0.12 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 2cr0 s LEU 41 CO 0.19 -0.54 -0.10 -0.54 0.23 0.00 0.00 176.35 175.60 2cr0 s LYS 42 N -1.07 2.68 0.38 1.70 -0.14 -1.26 -4.77 119.74 117.26 2cr0 s LYS 42 Ca 0.53 -0.61 0.23 0.00 -1.36 0.00 0.00 55.97 54.75 2cr0 s LYS 42 Cb -0.39 -2.51 1.33 0.00 -1.68 0.00 0.00 37.83 34.58 2cr0 s LYS 42 CO 0.47 0.63 1.60 0.78 -0.76 0.00 0.00 175.35 178.06 2cr0 h GLY 43 N 5.35 2.00 1.28 -3.33 0.00 -1.96 1.03 103.07 107.44 2cr0 h GLY 43 Ca -0.47 -0.15 -0.20 0.00 0.00 0.00 0.00 47.33 46.51 2cr0 h GLY 43 CO 0.52 -0.66 -0.65 0.07 0.00 0.00 0.00 176.54 175.82 2cr0 h LYS 44 N 0.07 0.74 -0.94 4.80 2.10 -2.02 -3.18 116.57 118.13 2cr0 h LYS 44 Ca 0.83 -0.53 0.04 0.00 -2.00 0.00 0.00 60.65 58.99 2cr0 h LYS 44 Cb 2.27 0.09 -0.06 0.00 -0.90 0.00 0.00 32.23 33.63 2cr0 h LYS 44 CO -0.66 1.15 0.61 -0.44 -2.00 0.00 0.00 179.45 178.11 2cr0 h ASP 45 N 0.54 1.01 -3.20 7.07 5.19 0.67 -3.43 116.42 124.27 2cr0 h ASP 45 Ca -0.02 -0.01 -0.58 0.00 -0.62 0.00 0.00 57.03 55.81 2cr0 h ASP 45 Cb 1.25 -0.23 -0.04 0.00 0.18 0.00 0.00 39.33 40.50 2cr0 h ASP 45 CO 0.13 0.69 -0.24 0.68 -3.12 0.00 0.00 179.24 177.38 2cr0 s VAL 46 N -6.09 5.08 -0.33 -1.35 -7.23 -0.69 -0.08 120.40 109.73 2cr0 s VAL 46 Ca -0.13 0.30 0.04 0.00 -1.81 0.00 0.00 61.98 60.38 2cr0 s VAL 46 Cb 0.18 -3.63 0.09 0.00 0.56 0.00 0.00 36.38 33.58 2cr0 s VAL 46 CO 0.81 0.12 0.02 -0.69 -0.31 0.00 0.00 175.10 175.04 2cr0 s VAL 47 N -1.59 2.24 -0.23 1.32 1.01 -0.81 -4.71 120.40 117.63 2cr0 s VAL 47 Ca 0.39 -2.21 0.02 0.00 0.00 0.00 0.00 61.98 60.18 2cr0 s VAL 47 Cb -0.13 -2.60 0.04 0.00 0.00 0.00 0.00 36.38 33.69 2cr0 s VAL 47 CO 0.21 -0.50 -0.13 -0.69 0.00 0.00 0.00 175.10 173.99 2cr0 s VAL 48 N 0.94 2.22 -0.28 2.92 1.01 -1.26 -2.33 120.40 123.63 2cr0 s VAL 48 Ca 0.07 -1.32 -0.05 0.00 0.00 0.00 0.00 61.98 60.68 2cr0 s VAL 48 Cb -0.19 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.04 2cr0 s VAL 48 CO -0.08 0.20 0.04 -0.62 0.00 0.00 0.00 175.10 174.64 2cr0 s ASP 49 N 1.20 4.88 -0.16 3.32 -1.08 0.05 -4.95 116.67 119.93 2cr0 s ASP 49 Ca -0.03 -0.74 -0.06 0.00 -0.52 0.00 0.00 52.55 51.21 2cr0 s ASP 49 Cb -0.17 -1.82 -0.04 0.00 -1.46 0.00 0.00 42.92 39.44 2cr0 s ASP 49 CO -0.08 -0.17 0.03 -0.63 0.52 0.00 0.00 175.17 174.85 2cr0 s ILE 50 N 1.45 4.52 0.38 4.11 1.01 -1.26 0.32 121.20 131.72 2cr0 s ILE 50 Ca 0.02 -0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.57 2cr0 s ILE 50 Cb -0.17 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 2cr0 s ILE 50 CO 0.00 0.50 0.13 -1.10 0.00 0.00 0.00 174.94 174.47 2cr0 s GLN 51 N 0.09 1.83 0.11 2.79 -0.21 0.32 -4.99 119.66 119.60 2cr0 s GLN 51 Ca 0.03 -2.09 -0.22 0.00 0.02 0.00 0.00 55.36 53.10 2cr0 s GLN 51 Cb -0.13 -0.55 -0.07 0.00 1.00 0.00 0.00 33.01 33.27 2cr0 s GLN 51 CO 0.01 -0.43 1.71 -0.09 -2.12 0.00 0.00 175.29 174.37 2cr0 h ARG 52 N 1.91 -0.06 -0.49 2.91 9.65 -1.98 -3.28 114.38 123.05 2cr0 h ARG 52 Ca -0.36 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.19 2cr0 h ARG 52 Cb 1.26 0.01 -0.38 0.00 -1.39 0.00 0.00 29.97 29.48 2cr0 h ARG 52 CO 0.57 -0.04 -0.95 -2.13 2.80 0.00 0.00 179.97 180.23 2cr0 n ARG 53 N -5.19 2.32 -3.63 0.20 0.63 -1.26 -0.78 116.66 108.94 2cr0 n ARG 53 Ca -0.04 -3.63 -0.11 0.00 -0.92 0.00 0.00 57.85 53.15 2cr0 n ARG 53 Cb 0.12 -1.74 -0.07 0.00 0.45 0.00 0.00 32.46 31.22 2cr0 n ARG 53 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2cr0 s HIS 54 N -3.36 -0.84 0.02 -0.14 2.46 -1.24 -2.04 115.29 110.16 2cr0 s HIS 54 Ca 0.38 1.89 0.03 0.00 0.47 0.00 0.00 55.06 57.83 2cr0 s HIS 54 Cb 0.37 0.39 -0.01 0.00 -0.13 0.00 0.00 32.58 33.19 2cr0 s HIS 54 CO -0.02 -0.41 -0.08 -1.17 -2.47 0.00 0.00 174.74 170.59 2cr0 s LEU 55 N 0.78 2.12 -0.01 8.88 2.96 -1.23 0.12 118.68 132.30 2cr0 s LEU 55 Ca -0.03 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 2cr0 s LEU 55 Cb -0.05 -0.32 0.00 0.00 0.50 0.00 0.00 46.19 46.32 2cr0 s LEU 55 CO -0.07 -0.03 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.31 2cr0 s ARG 56 N -0.82 0.29 -0.04 1.98 3.52 0.15 -3.66 118.95 120.38 2cr0 s ARG 56 Ca -0.02 -0.09 -0.06 0.00 -0.13 0.00 0.00 55.73 55.42 2cr0 s ARG 56 Cb -0.06 -0.31 0.01 0.00 -1.56 0.00 0.00 34.95 33.03 2cr0 s ARG 56 CO 0.00 0.04 0.15 0.08 -0.81 0.00 0.00 175.30 174.77 2cr0 s VAL 57 N 0.09 0.03 -3.02 7.11 1.01 -0.51 -0.77 120.40 124.34 2cr0 s VAL 57 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.73 2cr0 s VAL 57 Cb -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.04 2cr0 s VAL 57 CO -0.00 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.57 2cr0 n GLY 58 N 2.44 -0.59 3.04 4.51 0.00 -0.98 -1.13 105.19 112.48 2cr0 n GLY 58 Ca -0.16 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 44.99 2cr0 n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cr0 s LEU 59 N 0.00 1.95 -0.14 0.99 1.43 -1.26 -1.93 118.68 119.72 2cr0 s LEU 59 Ca 0.00 -0.19 -0.42 0.00 -1.03 0.00 0.00 54.13 52.49 2cr0 s LEU 59 Cb 0.00 -0.56 -0.20 0.00 0.03 0.00 0.00 46.19 45.46 2cr0 s LEU 59 CO 0.00 0.11 1.25 1.17 0.23 0.00 0.00 176.35 179.11 2cr0 n LYS 60 N 2.96 0.08 0.00 1.70 0.00 0.89 -0.76 118.16 123.02 2cr0 n LYS 60 Ca -0.15 0.03 0.00 0.00 0.00 0.00 0.00 58.31 58.19 2cr0 n LYS 60 Cb 0.56 -1.54 0.00 0.00 0.00 0.00 0.00 35.03 34.05 2cr0 n LYS 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2cr0 n GLY 61 N 2.31 1.77 3.64 3.14 0.00 -1.26 -4.96 105.19 109.82 2cr0 n GLY 61 Ca 0.23 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2cr0 n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cr0 s GLN 62 N 0.00 0.62 0.43 1.61 1.11 0.06 -4.97 119.66 118.52 2cr0 s GLN 62 Ca 0.00 1.25 -0.24 0.00 0.01 0.00 0.00 55.36 56.38 2cr0 s GLN 62 Cb 0.00 -1.70 -0.08 0.00 -1.01 0.00 0.00 33.01 30.22 2cr0 s GLN 62 CO 0.00 -2.81 1.18 -1.25 0.01 0.00 0.00 175.29 172.42 2cr0 s PRO 63 N -4.65 3.90 -0.29 2.91 0.04 -1.26 -4.44 135.00 131.21 2cr0 s PRO 63 Ca 0.66 1.83 -0.29 0.00 0.04 0.00 0.00 61.00 63.24 2cr0 s PRO 63 Cb -0.22 -2.55 -0.02 0.00 0.04 0.00 0.00 34.50 31.75 2cr0 s PRO 63 CO 0.59 -0.44 1.65 -1.25 0.04 0.00 0.00 177.00 177.59 2cr0 s PRO 64 N -2.49 3.60 0.43 0.56 0.04 -1.26 -4.44 135.00 131.43 2cr0 s PRO 64 Ca 0.60 1.48 0.13 0.00 0.04 0.00 0.00 61.00 63.25 2cr0 s PRO 64 Cb -0.30 -4.09 0.94 0.00 0.04 0.00 0.00 34.50 31.08 2cr0 s PRO 64 CO 0.37 -1.54 1.97 -0.24 0.04 0.00 0.00 177.00 177.61 2cr0 h VAL 65 N 6.44 1.14 -3.42 -0.36 3.04 -1.50 -3.39 116.25 118.20 2cr0 h VAL 65 Ca -0.33 -0.66 -0.57 0.00 -1.01 0.00 0.00 66.70 64.14 2cr0 h VAL 65 Cb 1.15 1.28 -0.38 0.00 -2.01 0.00 0.00 31.29 31.33 2cr0 h VAL 65 CO 1.02 0.19 -0.79 -0.69 -1.01 0.00 0.00 177.57 176.30 2cr0 s VAL 66 N -4.68 1.14 -0.26 1.51 1.01 -0.96 -5.00 120.40 113.17 2cr0 s VAL 66 Ca -0.04 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 2cr0 s VAL 66 Cb 0.16 -1.41 0.13 0.00 0.00 0.00 0.00 36.38 35.26 2cr0 s VAL 66 CO 0.71 -0.00 0.32 -0.62 0.00 0.00 0.00 175.10 175.50 2cr0 s ASP 67 N 1.59 0.98 -0.15 3.32 2.15 -1.26 -1.42 116.67 121.88 2cr0 s ASP 67 Ca -0.02 -0.28 -0.34 0.00 0.43 0.00 0.00 52.55 52.34 2cr0 s ASP 67 Cb -0.17 0.75 0.13 0.00 -0.30 0.00 0.00 42.92 43.34 2cr0 s ASP 67 CO -0.07 -0.34 1.19 -0.83 -0.17 0.00 0.00 175.17 174.95 2cr0 s GLY 68 N 2.44 -0.32 0.01 2.66 0.00 -1.24 -4.82 107.32 106.04 2cr0 s GLY 68 Ca 0.10 1.44 -0.30 0.00 0.00 0.00 0.00 44.72 45.95 2cr0 s GLY 68 CO -0.23 0.46 1.31 1.85 0.00 0.00 0.00 173.10 176.49 2cr0 s GLU 69 N -2.48 4.33 0.21 2.90 2.12 -1.26 -3.53 118.70 120.99 2cr0 s GLU 69 Ca 0.10 1.86 -0.31 0.00 0.36 0.00 0.00 54.97 56.97 2cr0 s GLU 69 Cb -0.00 -3.49 -0.11 0.00 0.26 0.00 0.00 34.13 30.78 2cr0 s GLU 69 CO -0.05 -0.46 1.62 -0.51 -0.54 0.00 0.00 175.26 175.32 2cr0 s LEU 70 N 1.96 4.37 0.41 2.70 1.43 -0.86 -2.02 118.68 126.67 2cr0 s LEU 70 Ca 0.61 2.78 0.24 0.00 -1.03 0.00 0.00 54.13 56.73 2cr0 s LEU 70 Cb -0.30 -3.61 1.25 0.00 0.03 0.00 0.00 46.19 43.57 2cr0 s LEU 70 CO 0.26 -0.89 1.70 0.22 0.23 0.00 0.00 176.35 177.87 2cr0 h TYR 71 N 6.30 0.60 -4.40 0.29 3.20 -1.77 -3.43 116.97 117.76 2cr0 h TYR 71 Ca -0.44 0.02 -0.38 0.00 3.14 0.00 0.00 58.73 61.08 2cr0 h TYR 71 Cb 1.21 -0.16 -0.10 0.00 1.54 0.00 0.00 36.73 39.22 2cr0 h TYR 71 CO 0.63 -0.08 -0.31 -1.71 -1.64 0.00 0.00 178.16 175.05 2cr0 n ASN 72 N -4.68 -0.98 -4.79 -2.11 2.85 -1.26 -5.09 115.26 99.20 2cr0 n ASN 72 Ca 0.31 -3.00 -0.36 0.00 -0.11 0.00 0.00 54.58 51.43 2cr0 n ASN 72 Cb 1.13 2.02 -0.06 0.00 1.24 0.00 0.00 39.78 44.12 2cr0 n ASN 72 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2cr0 s GLU 73 N -3.07 4.35 -0.04 1.20 2.02 -1.26 -4.66 118.70 117.24 2cr0 s GLU 73 Ca 0.34 1.33 -0.01 0.00 0.02 0.00 0.00 54.97 56.65 2cr0 s GLU 73 Cb 0.01 -2.55 0.03 0.00 0.10 0.00 0.00 34.13 31.72 2cr0 s GLU 73 CO 0.24 0.06 0.04 0.14 0.02 0.00 0.00 175.26 175.75 2cr0 s VAL 74 N -1.78 0.02 -0.94 2.63 -7.23 0.04 -3.28 120.40 109.86 2cr0 s VAL 74 Ca 0.56 0.30 -0.22 0.00 -1.81 0.00 0.00 61.98 60.81 2cr0 s VAL 74 Cb -0.17 -0.23 -0.25 0.00 0.56 0.00 0.00 36.38 36.30 2cr0 s VAL 74 CO 0.22 0.18 2.46 1.17 -0.31 0.00 0.00 175.10 178.81 2cr0 n LYS 75 N 4.97 0.13 -0.03 4.82 4.81 0.54 -4.51 118.16 128.88 2cr0 n LYS 75 Ca -0.10 -0.06 -0.17 0.00 -0.87 0.00 0.00 58.31 57.11 2cr0 n LYS 75 Cb 0.50 -1.64 -0.07 0.00 0.02 0.00 0.00 35.03 33.84 2cr0 n LYS 75 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 2cr0 h VAL 76 N 7.59 1.29 -0.04 3.15 3.04 -1.88 0.39 116.25 129.80 2cr0 h VAL 76 Ca -0.03 -1.89 0.01 0.00 -1.01 0.00 0.00 66.70 63.78 2cr0 h VAL 76 Cb 1.22 1.96 -0.00 0.00 -2.01 0.00 0.00 31.29 32.46 2cr0 h VAL 76 CO 1.43 0.60 0.13 -0.33 -1.01 0.00 0.00 177.57 178.39 2cr0 h GLU 77 N 0.47 0.00 0.00 4.17 5.08 -1.96 -2.65 114.58 119.69 2cr0 h GLU 77 Ca -0.04 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.05 2cr0 h GLU 77 Cb 1.31 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.51 2cr0 h GLU 77 CO 0.14 0.00 -2.02 0.39 -1.00 0.00 0.00 179.01 176.53 2cr0 n GLU 78 N -3.23 0.51 -1.26 2.33 -0.58 -1.15 -5.02 120.64 112.24 2cr0 n GLU 78 Ca -0.02 0.10 -0.37 0.00 -0.42 0.00 0.00 57.16 56.45 2cr0 n GLU 78 Cb 0.20 -1.36 0.05 0.00 -0.57 0.00 0.00 31.44 29.76 2cr0 n GLU 78 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2cr0 n SER 79 N -3.00 -2.26 -3.60 1.62 7.64 0.13 -4.98 113.62 109.18 2cr0 n SER 79 Ca -0.31 0.59 -0.09 0.00 1.01 0.00 0.00 58.87 60.07 2cr0 n SER 79 Cb 0.84 -1.07 -0.06 0.00 -1.01 0.00 0.00 64.21 62.91 2cr0 n SER 79 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cr0 s SER 80 N -1.26 -0.33 0.33 6.43 1.04 -0.93 -4.93 113.70 114.05 2cr0 s SER 80 Ca 0.61 0.44 0.10 0.00 0.48 0.00 0.00 55.95 57.58 2cr0 s SER 80 Cb -0.38 0.38 -0.06 0.00 0.10 0.00 0.00 66.02 66.06 2cr0 s SER 80 CO 0.62 -0.25 -0.11 -1.66 0.98 0.00 0.00 173.24 172.82 2cr0 s TRP 81 N -0.75 2.39 0.20 5.02 1.48 -1.26 -0.58 118.94 125.44 2cr0 s TRP 81 Ca 0.01 -0.47 -0.06 0.00 -1.06 0.00 0.00 56.10 54.52 2cr0 s TRP 81 Cb -0.02 -1.32 -0.02 0.00 -1.16 0.00 0.00 33.47 30.95 2cr0 s TRP 81 CO -0.02 0.61 0.25 -0.48 -4.06 0.00 0.00 176.95 173.25 2cr0 s LEU 82 N -3.59 0.93 -0.29 -4.66 0.05 0.55 -4.97 118.68 106.69 2cr0 s LEU 82 Ca 0.32 -1.15 -0.10 0.00 0.05 0.00 0.00 54.13 53.24 2cr0 s LEU 82 Cb 0.01 0.91 -0.03 0.00 -2.05 0.00 0.00 46.19 45.04 2cr0 s LEU 82 CO 0.16 -0.93 0.17 -0.63 -0.55 0.00 0.00 176.35 174.57 2cr0 s ILE 83 N -4.08 4.94 -0.18 1.48 1.01 -1.26 -1.76 121.20 121.35 2cr0 s ILE 83 Ca 0.29 -0.12 -0.13 0.00 0.00 0.00 0.00 60.65 60.69 2cr0 s ILE 83 Cb 0.04 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.04 2cr0 s ILE 83 CO 0.08 0.16 0.25 -1.61 0.00 0.00 0.00 174.94 173.83 2cr0 s GLU 84 N 1.69 4.22 -0.85 2.79 0.41 0.16 -4.36 118.70 122.76 2cr0 s GLU 84 Ca 0.06 -0.00 -0.11 0.00 -0.41 0.00 0.00 54.97 54.51 2cr0 s GLU 84 Cb -0.16 -3.45 0.11 0.00 -1.78 0.00 0.00 34.13 28.85 2cr0 s GLU 84 CO 0.08 0.20 0.27 -0.25 -0.49 0.00 0.00 175.26 175.08 2cr0 n ASP 85 N 3.73 -1.39 -1.58 -0.19 8.00 -1.26 -0.22 116.55 123.64 2cr0 n ASP 85 Ca -0.13 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.09 2cr0 n ASP 85 Cb 0.52 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.33 2cr0 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cr0 n GLY 86 N -0.75 -0.20 0.00 0.44 0.00 -1.26 -4.48 105.19 98.93 2cr0 n GLY 86 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2cr0 n GLY 86 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2cr0 n LYS 87 N -1.57 2.45 -4.13 1.61 2.85 0.70 -2.18 118.16 117.89 2cr0 n LYS 87 Ca 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.11 2cr0 n LYS 87 Cb 0.20 -0.75 -0.13 0.00 -0.65 0.00 0.00 35.03 33.70 2cr0 n LYS 87 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2cr0 s VAL 88 N -1.20 0.58 -0.42 0.58 1.01 -0.13 0.01 120.40 120.83 2cr0 s VAL 88 Ca 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 2cr0 s VAL 88 Cb 0.00 -0.59 0.11 0.00 0.00 0.00 0.00 36.38 35.90 2cr0 s VAL 88 CO 0.00 -0.18 0.20 -0.69 0.00 0.00 0.00 175.10 174.42 2cr0 s VAL 89 N -0.94 3.10 0.09 2.92 1.01 -0.95 0.38 120.40 126.00 2cr0 s VAL 89 Ca -0.05 -2.25 -0.22 0.00 0.00 0.00 0.00 61.98 59.46 2cr0 s VAL 89 Cb -0.07 -3.14 -0.07 0.00 0.00 0.00 0.00 36.38 33.10 2cr0 s VAL 89 CO 0.00 -0.69 0.67 0.42 0.00 0.00 0.00 175.10 175.50 2cr0 s THR 90 N 0.93 4.64 -0.13 3.92 -4.23 -0.72 -2.84 115.64 117.21 2cr0 s THR 90 Ca 0.10 1.44 0.00 0.00 -1.18 0.00 0.00 61.69 62.05 2cr0 s THR 90 Cb -0.22 -4.02 0.02 0.00 1.34 0.00 0.00 72.50 69.63 2cr0 s THR 90 CO -0.05 0.50 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.73 2cr0 s VAL 91 N -0.82 1.29 -0.28 2.29 1.01 -0.34 -0.33 120.40 123.22 2cr0 s VAL 91 Ca 0.33 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.65 2cr0 s VAL 91 Cb -0.21 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 2cr0 s VAL 91 CO 0.22 0.41 0.63 -2.28 0.00 0.00 0.00 175.10 174.07 2cr0 s HIS 92 N 1.56 3.24 -0.26 5.22 2.46 0.26 -2.73 115.29 125.03 2cr0 s HIS 92 Ca 0.04 0.68 -0.04 0.00 0.47 0.00 0.00 55.06 56.21 2cr0 s HIS 92 Cb -0.13 -2.92 0.01 0.00 -0.13 0.00 0.00 32.58 29.41 2cr0 s HIS 92 CO -0.09 -0.41 0.00 -0.51 -2.47 0.00 0.00 174.74 171.27 2cr0 s LEU 93 N 2.56 3.42 -0.34 8.88 1.43 -0.65 -2.18 118.68 131.80 2cr0 s LEU 93 Ca 0.25 -0.71 -0.25 0.00 -1.03 0.00 0.00 54.13 52.39 2cr0 s LEU 93 Cb -0.15 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.31 2cr0 s LEU 93 CO 0.10 -0.13 0.89 -0.70 0.23 0.00 0.00 176.35 176.74 2cr0 s GLU 94 N 1.43 3.90 -0.23 1.70 -6.30 -1.26 -0.31 118.70 117.62 2cr0 s GLU 94 Ca 0.02 0.63 -0.29 0.00 -2.50 0.00 0.00 54.97 52.83 2cr0 s GLU 94 Cb -0.16 -3.77 -0.02 0.00 0.00 0.00 0.00 34.13 30.17 2cr0 s GLU 94 CO -0.01 -0.85 1.62 0.15 0.02 0.00 0.00 175.26 176.19 2cr0 s LYS 95 N 3.31 3.75 0.48 4.30 1.02 -1.25 -0.34 119.74 131.01 2cr0 s LYS 95 Ca 0.37 1.62 0.38 0.00 0.02 0.00 0.00 55.97 58.36 2cr0 s LYS 95 Cb -0.13 -4.05 1.57 0.00 -0.52 0.00 0.00 37.83 34.71 2cr0 s LYS 95 CO 0.16 -1.34 1.58 0.82 -0.92 0.00 0.00 175.35 175.65 2cr0 h ILE 96 N 6.20 0.01 -3.59 2.17 1.08 -1.90 -3.27 117.51 118.21 2cr0 h ILE 96 Ca -0.33 -0.00 -0.62 0.00 -0.39 0.00 0.00 64.86 63.52 2cr0 h ILE 96 Cb 1.15 0.00 -0.38 0.00 -3.07 0.00 0.00 36.82 34.53 2cr0 h ILE 96 CO 1.01 0.00 -0.79 0.20 -0.69 0.00 0.00 178.15 177.87 2cr0 s ASN 97 N -4.17 3.75 0.42 1.72 0.01 -1.26 -4.99 114.94 110.42 2cr0 s ASN 97 Ca -0.07 -1.10 0.10 0.00 -0.71 0.00 0.00 52.86 51.08 2cr0 s ASN 97 Cb 0.30 -1.22 0.89 0.00 0.41 0.00 0.00 41.25 41.62 2cr0 s ASN 97 CO 0.85 -0.20 1.99 0.11 -1.51 0.00 0.00 177.10 178.33 2cr0 h LYS 98 N 7.95 0.25 -0.98 -0.60 1.79 -1.78 -1.83 116.57 121.36 2cr0 h LYS 98 Ca -0.21 -0.04 -0.14 0.00 -2.18 0.00 0.00 60.65 58.08 2cr0 h LYS 98 Cb 1.08 -0.04 -0.09 0.00 -1.58 0.00 0.00 32.23 31.60 2cr0 h LYS 98 CO 0.43 0.30 0.18 -1.33 -1.08 0.00 0.00 179.45 177.96 2cr0 n MET 99 N -4.36 1.52 -4.91 3.15 2.81 -1.26 -4.14 117.12 109.92 2cr0 n MET 99 Ca -0.00 -0.97 -0.27 0.00 -1.81 0.00 0.00 57.70 54.65 2cr0 n MET 99 Cb 0.20 -1.43 -0.15 0.00 -0.71 0.00 0.00 33.22 31.13 2cr0 n MET 99 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2cr0 s GLU 100 N -1.12 1.60 0.17 0.03 2.56 -0.69 -5.14 118.70 116.10 2cr0 s GLU 100 Ca 0.18 -0.79 0.06 0.00 0.00 0.00 0.00 54.97 54.41 2cr0 s GLU 100 Cb 0.15 -1.59 -0.04 0.00 2.00 0.00 0.00 34.13 34.65 2cr0 s GLU 100 CO 0.04 0.43 0.10 -1.58 -0.56 0.00 0.00 175.26 173.69 2cr0 s TRP 101 N -0.57 3.07 0.08 5.30 0.52 -1.26 -4.67 118.94 121.42 2cr0 s TRP 101 Ca 0.08 -0.05 0.06 0.00 0.02 0.00 0.00 56.10 56.22 2cr0 s TRP 101 Cb -0.08 -1.48 -0.04 0.00 -1.15 0.00 0.00 33.47 30.72 2cr0 s TRP 101 CO -0.00 0.52 -0.09 -1.58 0.02 0.00 0.00 176.95 175.82 2cr0 s TRP 102 N -1.74 2.78 -0.38 -1.98 0.52 -1.26 -5.02 118.94 111.86 2cr0 s TRP 102 Ca 0.30 -0.13 0.20 0.00 0.02 0.00 0.00 56.10 56.49 2cr0 s TRP 102 Cb -0.10 -1.47 -0.28 0.00 -1.15 0.00 0.00 33.47 30.47 2cr0 s TRP 102 CO 0.22 0.42 0.60 0.27 0.02 0.00 0.00 176.95 178.48 2cr0 n ASN 103 N 0.86 0.58 -3.60 2.95 6.94 -1.26 -4.94 115.26 116.79 2cr0 n ASN 103 Ca -0.14 -0.38 -0.03 0.00 -0.02 0.00 0.00 54.58 54.02 2cr0 n ASN 103 Cb 0.52 1.56 -0.02 0.00 -2.36 0.00 0.00 39.78 39.49 2cr0 n ASN 103 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2cr0 s ARG 104 N -3.19 0.38 -0.01 -3.83 1.70 -1.26 -1.28 118.95 111.45 2cr0 s ARG 104 Ca -0.02 -0.16 -0.23 0.00 -0.47 0.00 0.00 55.73 54.85 2cr0 s ARG 104 Cb 0.14 0.16 -0.14 0.00 -0.57 0.00 0.00 34.95 34.53 2cr0 s ARG 104 CO 0.83 -0.17 1.02 1.25 -1.08 0.00 0.00 175.30 177.15 2cr0 h LEU 105 N 2.00 -0.50 -7.78 -1.89 5.85 -1.92 -3.40 115.31 107.67 2cr0 h LEU 105 Ca -0.15 -0.09 -0.17 0.00 0.84 0.00 0.00 57.88 58.30 2cr0 h LEU 105 Cb 1.18 0.13 -0.23 0.00 0.37 0.00 0.00 40.66 42.11 2cr0 h LEU 105 CO 0.25 -0.09 -0.60 0.68 -0.34 0.00 0.00 178.44 178.33 2cr0 s VAL 106 N -4.23 0.06 0.35 1.05 -7.23 -1.26 -3.47 120.40 105.67 2cr0 s VAL 106 Ca -0.13 -0.51 0.16 0.00 -1.81 0.00 0.00 61.98 59.69 2cr0 s VAL 106 Cb 0.01 -0.27 0.36 0.00 0.56 0.00 0.00 36.38 37.04 2cr0 s VAL 106 CO 0.43 -0.28 1.54 0.35 -0.31 0.00 0.00 175.10 176.83 2cr0 n THR 107 N 2.06 -0.41 -0.14 5.32 -2.24 -0.86 1.00 114.28 119.01 2cr0 n THR 107 Ca -0.19 2.02 -0.04 0.00 -2.27 0.00 0.00 64.05 63.57 2cr0 n THR 107 Cb 0.57 -3.20 0.05 0.00 -2.10 0.00 0.00 70.33 65.64 2cr0 n THR 107 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2cr0 h SER 108 N 0.00 0.11 -4.24 3.42 4.64 -1.88 -3.43 113.55 112.18 2cr0 h SER 108 Ca 0.77 0.06 -0.51 0.00 -0.47 0.00 0.00 61.79 61.65 2cr0 h SER 108 Cb 1.95 0.06 0.14 0.00 -0.31 0.00 0.00 62.40 64.25 2cr0 h SER 108 CO -0.79 0.09 0.29 -1.81 -0.87 0.00 0.00 176.83 173.73 2cr0 s ASP 109 N -5.35 4.03 0.66 4.97 1.01 0.28 -5.01 116.67 117.26 2cr0 s ASP 109 Ca -0.13 1.78 -0.15 0.00 0.71 0.00 0.00 52.55 54.76 2cr0 s ASP 109 Cb 0.14 -2.44 0.00 0.00 1.01 0.00 0.00 42.92 41.63 2cr0 s ASP 109 CO 0.72 -2.33 1.11 -2.16 0.21 0.00 0.00 175.17 172.72 2cr0 s PRO 110 N -4.88 2.79 0.06 8.23 0.04 -1.26 -4.79 135.00 135.18 2cr0 s PRO 110 Ca 0.62 1.38 -0.10 0.00 0.04 0.00 0.00 61.00 62.95 2cr0 s PRO 110 Cb -0.18 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 2cr0 s PRO 110 CO 0.57 -1.26 0.37 -1.21 0.04 0.00 0.00 177.00 175.51 2cr0 s GLU 111 N -4.11 3.73 -0.02 4.56 2.02 -1.26 -4.73 118.70 118.89 2cr0 s GLU 111 Ca 0.67 0.14 0.08 0.00 0.02 0.00 0.00 54.97 55.87 2cr0 s GLU 111 Cb -0.20 -3.03 -0.02 0.00 0.10 0.00 0.00 34.13 30.97 2cr0 s GLU 111 CO 0.42 0.59 -0.25 0.96 0.02 0.00 0.00 175.26 177.00 2cr0 s ILE 112 N -1.35 1.95 0.35 -1.63 -4.36 -0.40 -5.05 121.20 110.72 2cr0 s ILE 112 Ca 0.31 -1.06 -0.27 0.00 -0.26 0.00 0.00 60.65 59.37 2cr0 s ILE 112 Cb -0.14 -1.62 -0.12 0.00 1.25 0.00 0.00 42.46 41.83 2cr0 s ILE 112 CO 0.17 0.55 1.16 -3.20 0.24 0.00 0.00 174.94 173.86 2cr0 n ASN 113 N 2.46 2.09 -4.22 4.36 2.85 -1.26 -4.76 115.26 116.77 2cr0 n ASN 113 Ca -0.16 1.16 -0.21 0.00 -0.11 0.00 0.00 54.58 55.26 2cr0 n ASN 113 Cb 0.51 -1.41 -0.12 0.00 1.24 0.00 0.00 39.78 40.00 2cr0 n ASN 113 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2cr0 s THR 114 N -1.13 1.40 -0.11 -0.44 -4.23 -1.26 -5.06 115.64 104.80 2cr0 s THR 114 Ca 0.58 -1.37 -0.07 0.00 -1.18 0.00 0.00 61.69 59.66 2cr0 s THR 114 Cb -0.59 -1.29 0.04 0.00 1.34 0.00 0.00 72.50 72.00 2cr0 s THR 114 CO 0.60 -0.11 0.27 -0.54 -0.54 0.00 0.00 174.62 174.31 2cr0 s LYS 115 N -1.72 0.25 -0.11 3.99 -0.14 -1.26 -5.15 119.74 115.60 2cr0 s LYS 115 Ca 0.02 0.53 0.01 0.00 -1.36 0.00 0.00 55.97 55.18 2cr0 s LYS 115 Cb -0.10 -0.05 -0.01 0.00 -1.68 0.00 0.00 37.83 35.99 2cr0 s LYS 115 CO 0.03 -0.14 -0.16 0.45 -0.76 0.00 0.00 175.35 174.77 2cr0 s SER 116 N 1.05 3.77 0.00 2.83 0.15 -1.26 -5.03 113.70 115.21 2cr0 s SER 116 Ca -0.07 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.20 2cr0 s SER 116 Cb -0.08 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.77 2cr0 s SER 116 CO -0.07 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.16 2cr0 n GLY 117 N 3.38 2.62 3.58 9.45 0.00 -1.26 -5.10 105.19 117.87 2cr0 n GLY 117 Ca -0.18 -1.55 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 2cr0 n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr0 s PRO 118 N -5.01 -1.44 0.30 1.61 0.04 -1.26 -5.01 135.00 124.24 2cr0 s PRO 118 Ca 0.00 -0.14 -0.27 0.00 0.04 0.00 0.00 61.00 60.63 2cr0 s PRO 118 Cb 0.00 -1.58 -0.10 0.00 0.04 0.00 0.00 34.50 32.87 2cr0 s PRO 118 CO 0.00 -3.84 0.95 0.45 0.04 0.00 0.00 177.00 174.60 2cr0 s SER 119 N -3.95 7.41 -0.06 6.66 0.15 -1.26 -5.06 113.70 117.58 2cr0 s SER 119 Ca 0.72 1.89 -0.01 0.00 0.70 0.00 0.00 55.95 59.25 2cr0 s SER 119 Cb -0.08 -2.59 0.03 0.00 -1.71 0.00 0.00 66.02 61.66 2cr0 s SER 119 CO 0.56 -0.02 -0.01 -0.94 1.20 0.00 0.00 173.24 174.03 2cr0 s SER 120 N -1.47 1.35 0.00 5.45 1.04 -1.26 -5.33 113.70 113.48 2cr0 s SER 120 Ca 0.48 -0.10 0.18 0.00 0.48 0.00 0.00 55.95 56.99 2cr0 s SER 120 Cb -0.21 -0.43 0.14 0.00 0.10 0.00 0.00 66.02 65.62 2cr0 s SER 120 CO 0.27 -0.15 1.08 0.61 0.98 0.00 0.00 173.24 176.02